<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Sorry for reposting<br><br>Thank you Andy<br>I think the problem is not with the mpich2
installation. I checked this by configuring molpro for serial execution
by the command<br><br>./configure -batch -x86_64<br><br>
The output of the above command is <br><br>machine type recognized as x86_64 (Generic 64-bit)<br>kernel recognized as Linux<br><br>Intel Fortran Compiler, Version 9.1<br>FC=/opt/intel/fc/9.1.036/bin/ifort<br><br>GNU Compiler Collection, Version 3.4.6<br>CC=/usr/bin/gcc<br><br>Use BLAS library - Automatically Tuned Linear Algebra Software (ATLAS)<br>BLASLIB=-L/usr/lib64 -lf77blas -lcblas -latlas<br><br>Use LAPACK library - undetermined LAPACK library, probably same type as BLAS<br>LAPACKLIB=-L/usr/lib64 -llapack<br><br>HDF5LIB=<br><br>parse-Linux-x86_64-i8.o is your object<br><br>CONFIG file created; proceed to compilation<br><br>then also the error message is same. How can I use the blas and lapack libraries supplied in the source file.<br><br><br><br>failed<br>ld:
Warning: size of symbol
`_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv' changed from
30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in
../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>ld: Warning: size
of symbol
`_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_'
changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to
11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>ld:
Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev' changed
from 1369 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 299 in
../lib/libmolpro.a(base_dfti_worker.o)<br>ld: Warning: size of symbol
`_ZN6molpro20base_pdf_dfti_workerD0Ev' changed from 1399 in
../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 301 in
../lib/libmolpro.a(base_dfti_worker.o)<br>ld: Warning: size of symbol
`_ZN6molpro20base_pdf_dfti_workerD1Ev' changed from 299 in
../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 1369 in
../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
changed from 301 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>ld: skipping incompatible /usr/lib64/liblapack.so when searching for -llapack<br>ld: skipping incompatible /usr/lib64/liblapack.a when searching for -llapack<br>ld: skipping incompatible /usr/lib64/liblapack.so when searching for -llapack<br>ld: skipping incompatible /usr/lib64/liblapack.a when searching for -llapack<br>ld: skipping incompatible /usr/lib64/libf77blas.a when searching for -lf77blas<br>ld: skipping incompatible /usr/lib64/libf77blas.a when searching for -lf77blas<br>ld: skipping incompatible /usr/lib64/libf77blas.a when searching for -lf77blas<br>ld: cannot find -lf77blas<br>make[2]: [../bin/molpro.exe] Error 1 (ignored)<br>failure<br>ld:
Warning: size of symbol
`_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv' changed from
30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in
../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>ld: Warning: size
of symbol
`_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_'
changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to
11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>ld:
Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev' changed
from 1369 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 299 in
../lib/libmolpro.a(base_dfti_worker.o)<br>ld: Warning: size of symbol
`_ZN6molpro20base_pdf_dfti_workerD0Ev' changed from 1399 in
../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 301 in
../lib/libmolpro.a(base_dfti_worker.o)<br>ld: Warning: size of symbol
`_ZN6molpro20base_pdf_dfti_workerD1Ev' changed from 299 in
../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 1369 in
../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
changed from 301 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>ld: skipping incompatible /usr/lib64/liblapack.so when searching for -llapack<br>ld: skipping incompatible /usr/lib64/liblapack.a when searching for -llapack<br>ld: skipping incompatible /usr/lib64/liblapack.so when searching for -llapack<br>ld: skipping incompatible /usr/lib64/liblapack.a when searching for -llapack<br>ld: skipping incompatible /usr/lib64/libf77blas.a when searching for -lf77blas<br>ld: skipping incompatible /usr/lib64/libf77blas.a when searching for -lf77blas<br>ld: skipping incompatible /usr/lib64/libf77blas.a when searching for -lf77blas<br>ld: cannot find -lf77blas<br>make[2]: *** [../bin/molpro.exe] Error 1<br>make[2]: Leaving directory `/usr/local/molpro2010.1/src'<br>make[1]: *** [default] Error 2<br>make[1]: Leaving directory `/usr/local/molpro2010.1/src'<br>make: *** [src] Error 2<br><br><br><div
style="text-align: left;"><div style="text-align: right;"><span style="font-style: italic;"> <span style="color: rgb(255, 0, 0);"> </span><span style="font-family: times new roman,new york,times,serif; color: rgb(255, 0, 0);">S.Rajagopala Reddy</span></span><br style="font-style: italic; font-family: times new roman,new york,times,serif; color: rgb(255, 0, 0);"><span style="font-style: italic; font-family: times new roman,new york,times,serif; color: rgb(255, 0,
0);"> Prof.Mahapatra lab</span><br style="font-style: italic; font-family: times new roman,new york,times,serif; color: rgb(255, 0, 0);"><span style="font-style: italic; font-family: times new roman,new york,times,serif; color: rgb(255, 0,
0);"> School of Chemistry</span><br style="font-style: italic; font-family: times new roman,new york,times,serif; color: rgb(255, 0, 0);"><span style="font-style: italic;"><span style="font-family: times new roman,new york,times,serif; color: rgb(255, 0,
0);"> University of Hyderabad</span></span><br></div><span style="font-style: italic;"></span></div><br><br>--- On <b>Wed, 19/1/11, molpro-user-request@molpro.net <i><molpro-user-request@molpro.net></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: molpro-user-request@molpro.net <molpro-user-request@molpro.net><br>Subject: Molpro-user Digest, Vol 30, Issue 13<br>To: molpro-user@molpro.net<br>Date: Wednesday, 19 January, 2011, 5:30
PM<br><br><div class="plainMail">Send Molpro-user mailing list submissions to<br> <a ymailto="mailto:molpro-user@molpro.net" href="/mc/compose?to=molpro-user@molpro.net">molpro-user@molpro.net</a><br><br>To subscribe or unsubscribe via the World Wide Web, visit<br> <a href="http://www.molpro.net/mailman/listinfo/molpro-user" target="_blank">http://www.molpro.net/mailman/listinfo/molpro-user</a><br>or, via email, send a message with subject or body 'help' to<br> <a ymailto="mailto:molpro-user-request@molpro.net" href="/mc/compose?to=molpro-user-request@molpro.net">molpro-user-request@molpro.net</a><br><br>You can reach the person managing the list at<br> <a ymailto="mailto:molpro-user-owner@molpro.net" href="/mc/compose?to=molpro-user-owner@molpro.net">molpro-user-owner@molpro.net</a><br><br>When replying, please edit your Subject line so it is more specific<br>than "Re: Contents of
Molpro-user digest..."<br><br><br>Today's Topics:<br><br> 1. problem in installing (Rajagopala Reddy seelam)<br> 2. Re: problem in installing (Andy May)<br><br><br>----------------------------------------------------------------------<br><br>Message: 1<br>Date: Tue, 18 Jan 2011 22:48:05 +0530 (IST)<br>From: Rajagopala Reddy seelam <<a ymailto="mailto:srgreddyseelam@yahoo.co.in" href="/mc/compose?to=srgreddyseelam@yahoo.co.in">srgreddyseelam@yahoo.co.in</a>><br>Subject: [molpro-user] problem in installing<br>To: molpro <<a ymailto="mailto:molpro-user@molpro.net" href="/mc/compose?to=molpro-user@molpro.net">molpro-user@molpro.net</a>><br>Message-ID: <<a ymailto="mailto:819997.31218.qm@web95902.mail.in.yahoo.com" href="/mc/compose?to=819997.31218.qm@web95902.mail.in.yahoo.com">819997.31218.qm@web95902.mail.in.yahoo.com</a>><br>Content-Type: text/plain; charset="iso-8859-1"<br><br>Dear Molpro developers
and users<br>I am trying to install Molpro 2010.1 with patch level 8 in our x68_64 Linux machine.<br><br>The command I used to configure is <br><br>./configure -batch -i8 -icc -mpp -mppbase /opt/mpich2/include<br>then<br>make -j<br>The output of the above command is <br>.<br>.<br>.<br>.<br>.<br>compiling molver.f90<br>make[3]: Leaving directory `/usr/local/molpro2010.1/src'<br>linking ../bin/molpro.exe<br>failed<br>ld: Warning: size of symbol `_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv' changed from 30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>ld: Warning: size of symbol `_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_' changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>ld: Warning: size of symbol
`_ZN6molpro20base_pdf_dfti_workerD1Ev' changed from 1369 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 299 in ../lib/libmolpro.a(base_dfti_worker.o)<br>ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev' changed from 1399 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 301 in ../lib/libmolpro.a(base_dfti_worker.o)<br>ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev' changed from 299 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 1369 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev' changed from 301 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>ld: skipping incompatible /opt/mpich2/lib/libmpichcxx.a when searching for -lmpichcxx<br>ld: cannot find -lmpichcxx<br>make[2]: [../bin/molpro.exe] Error 1 (ignored)<br>failure<br>ld: Warning: size of symbol
`_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv' changed from 30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>ld: Warning: size of symbol `_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_' changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev' changed from 1369 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 299 in ../lib/libmolpro.a(base_dfti_worker.o)<br>ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev' changed from 1399 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 301 in ../lib/libmolpro.a(base_dfti_worker.o)<br>ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev' changed from 299 in
../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 1369 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev' changed from 301 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>ld: skipping incompatible /opt/mpich2/lib/libmpichcxx.a when searching for -lmpichcxx<br>ld: cannot find -lmpichcxx<br>make[2]: *** [../bin/molpro.exe] Error 1<br>make[2]: Leaving directory `/usr/local/molpro2010.1/src'<br>make[1]: *** [default] Error 2<br>make[1]: Leaving directory `/usr/local/molpro2010.1/src'<br>make: *** [src] Error 2<br><br>I am attaching the CONFIG file for your attention.<br>Thank you<br>regards<br><br>? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?? ??????????????????????????????????????????????????????????????? S.Rajagopala Reddy<br>????????????????????????????????????????????????????????????? ? ? ? ? ? ? ? ? ? ? ? ? Prof.Mahapatra
lab<br>???????????????????????????????????????????????????????????? ? ? ? ? ? ? ? ? ? ? ???? School of Chemistry<br>?????????????????????????????????????????????????????????????? ? ? ? ? ? ? ? ? ?? University of Hyderabad<br><br><br>-------------- next part --------------<br>An HTML attachment was scrubbed...<br>URL: <a href="http://www.molpro.net/pipermail/molpro-user/attachments/20110118/4ea80bbd/attachment.html" target="_blank">http://www.molpro.net/pipermail/molpro-user/attachments/20110118/4ea80bbd/attachment.html</a> <br>-------------- next part --------------<br>A non-text attachment was scrubbed...<br>Name: CONFIG<br>Type: application/octet-stream<br>Size: 2377 bytes<br>Desc: not available<br>Url : <a href="http://www.molpro.net/pipermail/molpro-user/attachments/20110118/4ea80bbd/attachment-0001.dll" target="_blank">http://www.molpro.net/pipermail/molpro-user/attachments/20110118/4ea80bbd/attachment-0001.dll</a>
<br><br>------------------------------<br><br>Message: 2<br>Date: Wed, 19 Jan 2011 08:28:26 +0000<br>From: Andy May <<a ymailto="mailto:MayAJ1@cardiff.ac.uk" href="/mc/compose?to=MayAJ1@cardiff.ac.uk">MayAJ1@cardiff.ac.uk</a>><br>Subject: Re: [molpro-user] problem in installing<br>To: Rajagopala Reddy seelam <<a ymailto="mailto:srgreddyseelam@yahoo.co.in" href="/mc/compose?to=srgreddyseelam@yahoo.co.in">srgreddyseelam@yahoo.co.in</a>><br>Cc: molpro <<a ymailto="mailto:molpro-user@molpro.net" href="/mc/compose?to=molpro-user@molpro.net">molpro-user@molpro.net</a>><br>Message-ID: <<a ymailto="mailto:4D36A0AA.6090906@cardiff.ac.uk" href="/mc/compose?to=4D36A0AA.6090906@cardiff.ac.uk">4D36A0AA.6090906@cardiff.ac.uk</a>><br>Content-Type: text/plain; charset=ISO-8859-1<br><br><br>The warnings about size of symbol don't matter much, but I think if you<br>try with patch level 10 they might disappear.<br><br>The main problem
is:<br><br>ld: skipping incompatible /opt/mpich2/lib/libmpichcxx.a when searching<br><br>This sort of error is generally seen when trying to link a program<br>against a library of a different architecture. You are trying to build a<br>64-bit version of Molpro, and my guess is that the installation of mpich<br>you have is 32-bit, can you check this?<br><br>Best wishes,<br><br>Andy<br><br>On 18/01/11 17:18, Rajagopala Reddy seelam wrote:<br>> Dear Molpro developers and users<br>> I am trying to install Molpro 2010.1 with patch level 8 in our x68_64<br>> Linux machine.<br>> <br>> The command I used to configure is<br>> <br>> ./configure -batch -i8 -icc -mpp -mppbase /opt/mpich2/include<br>> then<br>> make -j<br>> The output of the above command is<br>> .<br>> .<br>> .<br>> .<br>> .<br>> compiling molver.f90<br>> make[3]: Leaving directory `/usr/local/molpro2010.1/src'<br>> linking
../bin/molpro.exe<br>> failed<br>> ld: Warning: size of symbol<br>> `_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv' changed from<br>> 30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in<br>> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>> ld: Warning: size of symbol<br>> `_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_'<br>> changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to<br>> 11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'<br>> changed from 1369 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to<br>> 299 in ../lib/libmolpro.a(base_dfti_worker.o)<br>> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'<br>> changed from 1399 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to<br>> 301 in
../lib/libmolpro.a(base_dfti_worker.o)<br>> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'<br>> changed from 299 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to<br>> 1369 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'<br>> changed from 301 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to<br>> 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>> ld: skipping incompatible /opt/mpich2/lib/libmpichcxx.a when searching<br>> for -lmpichcxx<br>> ld: cannot find -lmpichcxx<br>> make[2]: [../bin/molpro.exe] Error 1 (ignored)<br>> failure<br>> ld: Warning: size of symbol<br>> `_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv' changed from<br>> 30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in<br>> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>> ld: Warning: size of symbol<br>>
`_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_'<br>> changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to<br>> 11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)<br>> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'<br>> changed from 1369 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to<br>> 299 in ../lib/libmolpro.a(base_dfti_worker.o)<br>> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'<br>> changed from 1399 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to<br>> 301 in ../lib/libmolpro.a(base_dfti_worker.o)<br>> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'<br>> changed from 299 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to<br>> 1369 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>> ld: Warning: size of symbol
`_ZN6molpro20base_pdf_dfti_workerD0Ev'<br>> changed from 301 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to<br>> 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)<br>> ld: skipping incompatible /opt/mpich2/lib/libmpichcxx.a when searching<br>> for -lmpichcxx<br>> ld: cannot find -lmpichcxx<br>> make[2]: *** [../bin/molpro.exe] Error 1<br>> make[2]: Leaving directory `/usr/local/molpro2010.1/src'<br>> make[1]: *** [default] Error 2<br>> make[1]: Leaving directory `/usr/local/molpro2010.1/src'<br>> make: *** [src] Error 2<br>> <br>> I am attaching the CONFIG file for your attention.<br>> Thank you<br>> regards<br>> <br>> <br>>
<br>> S.Rajagopala Reddy<br>> <br>> Prof.Mahapatra lab<br>> <br>> School of Chemistry<br>>
<br>> University of Hyderabad<br>> <br>> <br>> <br>> <br>> _______________________________________________<br>> Molpro-user mailing list<br>> <a ymailto="mailto:Molpro-user@molpro.net" href="/mc/compose?to=Molpro-user@molpro.net">Molpro-user@molpro.net</a><br>> <a href="http://www.molpro.net/mailman/listinfo/molpro-user" target="_blank">http://www.molpro.net/mailman/listinfo/molpro-user</a><br><br><br>------------------------------<br><br>_______________________________________________<br>Molpro-user mailing list<br><a ymailto="mailto:Molpro-user@molpro.net" href="/mc/compose?to=Molpro-user@molpro.net">Molpro-user@molpro.net</a><br><a href="http://www.molpro.net/mailman/listinfo/molpro-user" target="_blank">http://www.molpro.net/mailman/listinfo/molpro-user</a><br><br><br>End of
Molpro-user Digest, Vol 30, Issue 13<br>*******************************************<br></div></blockquote></td></tr></table><br>